%chk=000122395.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122395

0 1
 S   -5.256900     -1.5900001E-02  6.6100001E-02
 S    2.445900       1.508300     -2.9000000E-03
 S    6.183900     -0.8288000     -4.1600000E-02
 O   -5.695800      3.9400000E-02  -1.507100    
 O   -5.845200      -1.220800      0.6304000    
 O   -5.519600       1.286600      0.6559000    
 N  -0.2434000       1.529200      2.0000000E-02
 N   0.6194000     -0.5190000      5.2999998E-03
 C   -1.319200      0.6788000      2.8700000E-02
 C  -0.7545000     -0.5935000      1.9300001E-02
 C   -3.520500     -0.2233000      4.8599999E-02
 C   -2.695700      0.9064000      4.3499999E-02
 C   0.8913000      0.7668000      6.0999999E-03
 C   -1.598100      -1.717100      2.4800001E-02
 C   -2.983600      -1.512700      3.9600000E-02
 C    3.598000      8.8799998E-02 -1.3600000E-02
 C    5.037800      0.5823000     -2.2399999E-02
 C    7.735700      9.5799997E-02  3.1999999E-03
 C    8.920600     -0.8512000     -4.0000002E-03
 H   -3.089400       1.916500      4.2599998E-02
 H  -0.2815000       2.539700      2.3900000E-02
 H   -1.190400      -2.722900      1.5900001E-02
 H   -3.629400      -2.387200      3.5599999E-02
 H    3.401700     -0.5206000      0.8756000    
 H    3.389300     -0.5162000     -0.9030000    
 H    5.229700       1.195100     -0.9099000    
 H    5.242000       1.183000      0.8708000    
 H    7.789400      0.7562000     -0.8680000    
 H    7.765000      0.7117000      0.9075000    
 H    8.912500      -1.512700      0.8690000    
 H    8.937300      -1.468300     -0.9087000    
 H    9.854500     -0.2798000      2.3300000E-02
 H   -5.502200     -0.7745000      -2.029200    


%chk=000122395-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122395

0 1
S -5.304441 -0.203130 0.042639
S 2.499702 1.757784 0.042610
S 6.190418 -0.850092 0.004891
O -5.527142 -0.275043 -1.804300
O -5.967289 -1.535677 0.678002
O -5.759666 1.265096 0.552139
N -0.286345 1.664547 0.038324
N 0.705280 -0.399238 0.045943
C -1.340368 0.737645 0.036870
C -0.696221 -0.552708 0.040898
C -3.446883 -0.324620 0.030501
C -2.735794 0.887826 0.028127
C 0.906951 0.928850 0.042951
C -1.469081 -1.735930 0.047692
C -2.873095 -1.616707 0.038726
C 3.620083 0.210564 0.044050
C 5.073088 0.684074 -0.001608
C 7.866935 0.044439 -0.019184
C 8.995266 -0.996378 -0.018750
H -3.255808 1.850268 0.035533
H -0.366242 2.680190 0.035417
H -0.982842 -2.714737 0.056933
H -3.519218 -2.499231 0.055599
H 3.385344 -0.354868 0.958410
H 3.338738 -0.388033 -0.835369
H 5.280163 1.259214 -0.921045
H 5.325172 1.296755 0.881829
H 7.900880 0.674100 -0.925642
H 7.916772 0.692186 0.873734
H 8.952511 -1.632666 0.882871
H 8.936450 -1.650907 -0.906298
H 9.977623 -0.489332 -0.032777
H -6.512339 -0.294142 -1.984414


